# Potential energy (eV/atom) vs. nearest neighbor radial distance (Angstrom). # potential = 2005--Erhart-P-Albe-K--Si-C-I # implementation = Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_003 # composition = C2Si # NOTE: These values are for static, unrelaxed structures and use the ideal # b/a and c/a ratios for the crystal structure, not the potential-specific # values. # Calculations from the NIST Interatomic Potential Repository Project: # http://www.ctcms.nist.gov/potentials/ # Table generated 2022-05-24 r C1--CaF2--fluori 0.50 nan 0.52 nan 0.54 nan 0.56 nan 0.58 nan 0.60 nan 0.62 nan 0.64 1.562050433e+03 0.66 1.396210026e+03 0.68 1.249214116e+03 0.70 1.119651572e+03 0.72 1.004962030e+03 0.74 9.037789028e+02 0.76 8.133350871e+02 0.78 7.322978369e+02 0.80 6.598607474e+02 0.82 5.961711832e+02 0.84 5.400655798e+02 0.86 4.901661881e+02 0.88 4.458467591e+02 0.90 4.055744793e+02 0.92 3.689833816e+02 0.94 3.356503308e+02 0.96 3.049762115e+02 0.98 2.764698421e+02 1.00 2.504306506e+02 1.02 2.272476831e+02 1.04 2.072115985e+02 1.06 1.897117796e+02 1.08 1.739831106e+02 1.10 1.596642228e+02 1.12 1.465574319e+02 1.14 1.345385856e+02 1.16 1.232757474e+02 1.18 1.123504043e+02 1.20 1.017926408e+02 1.22 9.171165833e+01 1.24 8.215609852e+01 1.26 7.313685087e+01 1.28 6.470633299e+01 1.30 5.704064079e+01 1.32 5.051880295e+01 1.34 4.513223062e+01 1.36 4.084790536e+01 1.38 3.720618550e+01 1.40 3.385360357e+01 1.42 3.076792981e+01 1.44 2.792864467e+01 1.46 2.531680514e+01 1.48 2.291492181e+01 1.50 2.070684572e+01 1.52 1.867766415e+01 1.54 1.681360478e+01 1.56 1.510194736e+01 1.58 1.353094243e+01 1.60 1.208973638e+01 1.62 1.075255397e+01 1.64 9.491536138e+00 1.66 8.257215646e+00 1.68 7.003655268e+00 1.70 5.744847959e+00 1.72 4.482782841e+00 1.74 3.206419352e+00 1.76 1.896407885e+00 1.78 5.356873774e-01 1.80 -8.750931788e-01 1.82 -2.291270112e+00 1.84 -3.586108384e+00 1.86 -4.301926961e+00 1.88 -4.467871214e+00 1.90 -4.604047517e+00 1.92 -4.717068279e+00 1.94 -4.808902892e+00 1.96 -4.881378670e+00 1.98 -4.936190451e+00 2.00 -4.974909552e+00 2.02 -4.998992155e+00 2.04 -5.009787129e+00 2.06 -5.008543350e+00 2.08 -4.996416529e+00 2.10 -4.974475600e+00 2.12 -4.943708680e+00 2.14 -4.905028641e+00 2.16 -4.859278308e+00 2.18 -4.807235319e+00 2.20 -4.749616658e+00 2.22 -4.669008486e+00 2.24 -4.548096524e+00 2.26 -4.388095777e+00 2.28 -4.190804394e+00 2.30 -3.958667906e+00 2.32 -3.694826056e+00 2.34 -3.403139827e+00 2.36 -3.088197509e+00 2.38 -2.755300218e+00 2.40 -2.410429373e+00 2.42 -2.060201642e+00 2.44 -1.711820658e+00 2.46 -1.373038203e+00 2.48 -1.052135929e+00 2.50 -7.579214317e-01 2.52 -4.996809461e-01 2.54 -2.869297323e-01 2.56 -1.286841622e-01 2.58 -3.200707115e-02 2.60 0.000000000e+00 2.62 0.000000000e+00 2.64 0.000000000e+00 2.66 0.000000000e+00 2.68 0.000000000e+00 2.70 0.000000000e+00 2.72 0.000000000e+00 2.74 0.000000000e+00 2.76 0.000000000e+00 2.78 0.000000000e+00 2.80 0.000000000e+00 2.82 0.000000000e+00 2.84 0.000000000e+00 2.86 0.000000000e+00 2.88 0.000000000e+00 2.90 0.000000000e+00 2.92 0.000000000e+00 2.94 0.000000000e+00 2.96 0.000000000e+00 2.98 0.000000000e+00 3.00 0.000000000e+00 3.02 0.000000000e+00 3.04 0.000000000e+00 3.06 0.000000000e+00 3.08 0.000000000e+00 3.10 0.000000000e+00 3.12 0.000000000e+00 3.14 0.000000000e+00 3.16 0.000000000e+00 3.18 0.000000000e+00 3.20 0.000000000e+00 3.22 0.000000000e+00 3.24 0.000000000e+00 3.26 0.000000000e+00 3.28 0.000000000e+00 3.30 0.000000000e+00 3.32 0.000000000e+00 3.34 0.000000000e+00 3.36 0.000000000e+00 3.38 0.000000000e+00 3.40 0.000000000e+00 3.42 0.000000000e+00 3.44 0.000000000e+00 3.46 0.000000000e+00 3.48 0.000000000e+00 3.50 0.000000000e+00 3.52 0.000000000e+00 3.54 0.000000000e+00 3.56 0.000000000e+00 3.58 0.000000000e+00 3.60 0.000000000e+00 3.62 0.000000000e+00 3.64 0.000000000e+00 3.66 0.000000000e+00 3.68 0.000000000e+00 3.70 0.000000000e+00 3.72 0.000000000e+00 3.74 0.000000000e+00 3.76 0.000000000e+00 3.78 0.000000000e+00 3.80 0.000000000e+00 3.82 0.000000000e+00 3.84 0.000000000e+00 3.86 0.000000000e+00 3.88 0.000000000e+00 3.90 0.000000000e+00 3.92 0.000000000e+00 3.94 0.000000000e+00 3.96 0.000000000e+00 3.98 0.000000000e+00 4.00 0.000000000e+00 4.02 0.000000000e+00 4.04 0.000000000e+00 4.06 0.000000000e+00 4.08 0.000000000e+00 4.10 0.000000000e+00 4.12 0.000000000e+00 4.14 0.000000000e+00 4.16 0.000000000e+00 4.18 0.000000000e+00 4.20 0.000000000e+00 4.22 0.000000000e+00 4.24 0.000000000e+00 4.26 0.000000000e+00 4.28 0.000000000e+00 4.30 0.000000000e+00 4.32 0.000000000e+00 4.34 0.000000000e+00 4.36 0.000000000e+00 4.38 0.000000000e+00 4.40 0.000000000e+00 4.42 0.000000000e+00 4.44 0.000000000e+00 4.46 0.000000000e+00 4.48 0.000000000e+00 4.50 0.000000000e+00 4.52 0.000000000e+00 4.54 0.000000000e+00 4.56 0.000000000e+00 4.58 0.000000000e+00 4.60 0.000000000e+00 4.62 0.000000000e+00 4.64 0.000000000e+00 4.66 0.000000000e+00 4.68 0.000000000e+00 4.70 0.000000000e+00 4.72 0.000000000e+00 4.74 0.000000000e+00 4.76 0.000000000e+00 4.78 0.000000000e+00 4.80 0.000000000e+00 4.82 0.000000000e+00 4.84 0.000000000e+00 4.86 0.000000000e+00 4.88 0.000000000e+00 4.90 0.000000000e+00 4.92 0.000000000e+00 4.94 0.000000000e+00 4.96 0.000000000e+00 4.98 0.000000000e+00 5.00 0.000000000e+00 5.02 0.000000000e+00 5.04 0.000000000e+00 5.06 0.000000000e+00 5.08 0.000000000e+00 5.10 0.000000000e+00 5.12 0.000000000e+00 5.14 0.000000000e+00 5.16 0.000000000e+00 5.18 0.000000000e+00 5.20 0.000000000e+00 5.22 0.000000000e+00 5.24 0.000000000e+00 5.26 0.000000000e+00 5.28 0.000000000e+00 5.30 0.000000000e+00 5.32 0.000000000e+00 5.34 0.000000000e+00 5.36 0.000000000e+00 5.38 0.000000000e+00 5.40 0.000000000e+00 5.42 0.000000000e+00 5.44 0.000000000e+00 5.46 0.000000000e+00 5.48 0.000000000e+00 5.50 0.000000000e+00 5.52 0.000000000e+00 5.54 0.000000000e+00 5.56 0.000000000e+00 5.58 0.000000000e+00 5.60 0.000000000e+00 5.62 0.000000000e+00 5.64 0.000000000e+00 5.66 0.000000000e+00 5.68 0.000000000e+00 5.70 0.000000000e+00 5.72 0.000000000e+00 5.74 0.000000000e+00 5.76 0.000000000e+00 5.78 0.000000000e+00 5.80 0.000000000e+00 5.82 0.000000000e+00 5.84 0.000000000e+00 5.86 0.000000000e+00 5.88 0.000000000e+00 5.90 0.000000000e+00 5.92 0.000000000e+00 5.94 0.000000000e+00 5.96 0.000000000e+00 5.98 0.000000000e+00 6.00 0.000000000e+00